4-morpholin-4-yl-3,5-dinitrobenzohydrazide

C11H13N5O6 — CID 132593751

IUPAC4-morpholin-4-yl-3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O6/c12-13-11(17)7-5-8(15(18)19)10(9(6-7)16(20)21)14-1-3-22-4-2-14/h5-6H,1-4,12H2,(H,13,17)
InChIKeyZHFMKOLXPXINAZ-UHFFFAOYSA-N
MW311.25 g/mol
LogP-0.06
Rot. Bonds4

About 4-morpholin-4-yl-3,5-dinitrobenzohydrazide

4-morpholin-4-yl-3,5-dinitrobenzohydrazide (PubChem CID 132593751) has the molecular formula C11H13N5O6 and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-morpholin-4-yl-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name4-morpholin-4-yl-3,5-dinitrobenzohydrazide
PubChem CID132593751
Molecular FormulaC11H13N5O6
Molecular Weight311.25 g/mol
Exact Mass311.09
IUPAC Name4-morpholin-4-yl-3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O6/c12-13-11(17)7-5-8(15(18)19)10(9(6-7)16(20)21)14-1-3-22-4-2-14/h5-6H,1-4,12H2,(H,13,17)
InChIKeyZHFMKOLXPXINAZ-UHFFFAOYSA-N
XLogP-0.06
TPSA153.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide
CID 91674503
4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide
CID 132593791
3,5-dinitro-4-pyrrolidin-1-ylbenzoic acid
CID 12005642
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide
CID 78906552
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitrobenzamide
CID 25042551
2-morpholin-4-yl-3,5-dinitrobenzoyl chloride
CID 132593438
benzotriazol-1-yl-(4-morpholin-4-yl-3,5-dinitrophenyl)methanone
CID 5259233
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
CID 132593891
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
CID 18139156
3-chloro-4-[(2R)-2-methylpiperidin-1-yl]-5-nitrobenzohydrazide
CID 100803025

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3,5-dinitrobenzohydrazide?
The IUPAC name of 4-morpholin-4-yl-3,5-dinitrobenzohydrazide (CID 132593751) is 4-morpholin-4-yl-3,5-dinitrobenzohydrazide.
What is the SMILES notation for 4-morpholin-4-yl-3,5-dinitrobenzohydrazide?
The canonical SMILES for 4-morpholin-4-yl-3,5-dinitrobenzohydrazide is NNC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-morpholin-4-yl-3,5-dinitrobenzohydrazide?
The InChIKey is ZHFMKOLXPXINAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O6/c12-13-11(17)7-5-8(15(18)19)10(9(6-7)16(20)21)14-1-3-22-4-2-14/h5-6H,1-4,12H2,(H,13,17).
What are the key properties of 4-morpholin-4-yl-3,5-dinitrobenzohydrazide?
4-morpholin-4-yl-3,5-dinitrobenzohydrazide has a molecular weight of 311.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 132593751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).